N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C95H94F7IN16O4 — CID 157182626

IUPACN-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESNc1ccc(-c2cnc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)Cc3ccc(F)c(F)c3)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)Cc3ccc(I)cc3)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)c3ccccc3)c(C3CCCCC3)n2)cc1
InChIInChI=1S/C24H21F5N4O.C24H24F2N4O.C24H25IN4O.C23H24N4O/c25-18-15(19(26)21(28)22(29)20(18)27)10-17(34)33-24-23(13-4-2-1-3-5-13)32-16(11-31-24)12-6-8-14(30)9-7-12;25-19-11-6-15(12-20(19)26)13-22(31)30-24-23(17-4-2-1-3-5-17)29-21(14-28-24)16-7-9-18(27)10-8-16;25-19-10-6-16(7-11-19)14-22(30)29-24-23(18-4-2-1-3-5-18)28-21(15-27-24)17-8-12-20(26)13-9-17;24-19-13-11-16(12-14-19)20-15-25-22(21(26-20)17-7-3-1-4-8-17)27-23(28)18-9-5-2-6-10-18/h6-9,11,13H,1-5,10,30H2,(H,31,33,34);6-12,14,17H,1-5,13,27H2,(H,28,30,31);6-13,15,18H,1-5,14,26H2,(H,27,29,30);2,5-6,9-15,17H,1,3-4,7-8,24H2,(H,25,27,28)
InChIKeyAOSYOSRUHUQXIH-UHFFFAOYSA-N
MW1783.79 g/mol
LogP21.47
Rot. Bonds19

About N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 157182626) has the molecular formula C95H94F7IN16O4 and a molecular weight of 1783.79 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID157182626
Molecular FormulaC95H94F7IN16O4
Molecular Weight1783.79 g/mol
Exact Mass1782.66
IUPAC NameN-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESNc1ccc(-c2cnc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)Cc3ccc(F)c(F)c3)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)Cc3ccc(I)cc3)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)c3ccccc3)c(C3CCCCC3)n2)cc1
InChIInChI=1S/C24H21F5N4O.C24H24F2N4O.C24H25IN4O.C23H24N4O/c25-18-15(19(26)21(28)22(29)20(18)27)10-17(34)33-24-23(13-4-2-1-3-5-13)32-16(11-31-24)12-6-8-14(30)9-7-12;25-19-11-6-15(12-20(19)26)13-22(31)30-24-23(17-4-2-1-3-5-17)29-21(14-28-24)16-7-9-18(27)10-8-16;25-19-10-6-16(7-11-19)14-22(30)29-24-23(18-4-2-1-3-5-18)28-21(15-27-24)17-8-12-20(26)13-9-17;24-19-13-11-16(12-14-19)20-15-25-22(21(26-20)17-7-3-1-4-8-17)27-23(28)18-9-5-2-6-10-18/h6-9,11,13H,1-5,10,30H2,(H,31,33,34);6-12,14,17H,1-5,13,27H2,(H,28,30,31);6-13,15,18H,1-5,14,26H2,(H,27,29,30);2,5-6,9-15,17H,1,3-4,7-8,24H2,(H,25,27,28)
InChIKeyAOSYOSRUHUQXIH-UHFFFAOYSA-N
XLogP21.47
TPSA323.60 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.79
LogP ≤ 521.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide with MolForge

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Related Compounds

2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
CID 66836490
US10251893, Cpd 205
CID 46927365
2-(2'-fluoro-2,4'-bipyridin-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide
CID 58447686
US10030016, Example 77
CID 68160390
US11241428, Example 21
CID 146525537
N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide
CID 118302635
3-fluoro-N-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46053697
2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 50783443
N-[6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)pyrazin-2-yl]pyridine-4-carboxamide
CID 172435477
US20240043448, Example 19a
CID 156295593
US12319655, Example 433
CID 168929262

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 157182626) is N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is Nc1ccc(-c2cnc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)Cc3ccc(F)c(F)c3)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)Cc3ccc(I)cc3)c(C3CCCCC3)n2)cc1.Nc1ccc(-c2cnc(NC(=O)c3ccccc3)c(C3CCCCC3)n2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is AOSYOSRUHUQXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O.C24H24F2N4O.C24H25IN4O.C23H24N4O/c25-18-15(19(26)21(28)22(29)20(18)27)10-17(34)33-24-23(13-4-2-1-3-5-13)32-16(11-31-24)12-6-8-14(30)9-7-12;25-19-11-6-15(12-20(19)26)13-22(31)30-24-23(17-4-2-1-3-5-17)29-21(14-28-24)16-7-9-18(27)10-8-16;25-19-10-6-16(7-11-19)14-22(30)29-24-23(18-4-2-1-3-5-18)28-21(15-27-24)17-8-12-20(26)13-9-17;24-19-13-11-16(12-14-19)20-15-25-22(21(26-20)17-7-3-1-4-8-17)27-23(28)18-9-5-2-6-10-18/h6-9,11,13H,1-5,10,30H2,(H,31,33,34);6-12,14,17H,1-5,13,27H2,(H,28,30,31);6-13,15,18H,1-5,14,26H2,(H,27,29,30);2,5-6,9-15,17H,1,3-4,7-8,24H2,(H,25,27,28).
What are the key properties of N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 1783.79 g/mol, XLogP of 21.47, 19 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]benzamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[5-(4-aminophenyl)-3-cyclohexylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 157182626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).